7,8-di(propan-2-yl)spiro[2.5]oct-7-ene

C14H24 — CID 58289811

IUPAC7,8-di(propan-2-yl)spiro[2.5]oct-7-ene
SMILESCC(C)C1=C(C(C)C)C2(CCC1)CC2
InChIInChI=1S/C14H24/c1-10(2)12-6-5-7-14(8-9-14)13(12)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNTHZYFKLOODVCM-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.56
Rot. Bonds2

About 7,8-di(propan-2-yl)spiro[2.5]oct-7-ene

7,8-di(propan-2-yl)spiro[2.5]oct-7-ene (PubChem CID 58289811) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 7,8-di(propan-2-yl)spiro[2.5]oct-7-ene.

Molecular Properties

Compound Name7,8-di(propan-2-yl)spiro[2.5]oct-7-ene
PubChem CID58289811
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name7,8-di(propan-2-yl)spiro[2.5]oct-7-ene
SMILESCC(C)C1=C(C(C)C)C2(CCC1)CC2
InChIInChI=1S/C14H24/c1-10(2)12-6-5-7-14(8-9-14)13(12)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNTHZYFKLOODVCM-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-di(propan-2-yl)spiro[2.5]oct-7-ene?
The IUPAC name of 7,8-di(propan-2-yl)spiro[2.5]oct-7-ene (CID 58289811) is 7,8-di(propan-2-yl)spiro[2.5]oct-7-ene.
What is the SMILES notation for 7,8-di(propan-2-yl)spiro[2.5]oct-7-ene?
The canonical SMILES for 7,8-di(propan-2-yl)spiro[2.5]oct-7-ene is CC(C)C1=C(C(C)C)C2(CCC1)CC2.
What is the InChIKey of 7,8-di(propan-2-yl)spiro[2.5]oct-7-ene?
The InChIKey is NTHZYFKLOODVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-10(2)12-6-5-7-14(8-9-14)13(12)11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 7,8-di(propan-2-yl)spiro[2.5]oct-7-ene?
7,8-di(propan-2-yl)spiro[2.5]oct-7-ene has a molecular weight of 192.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-di(propan-2-yl)spiro[2.5]oct-7-ene is sourced from PubChem (CID 58289811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).